%chk=opt-b3lyp-pople.chk
#P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) opt freq

Optimization orbencarb CONF52 water

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Cl  -3.4617771166  -1.6153887157  -1.1481791040
S    0.7943296593  -1.2360299989   1.0514025194
O    1.1560797176  -0.0186116824  -1.2590012153
N    2.9395084276   0.0262711309   0.1371371771
C    3.7625131839   0.7601198115  -0.8202763896
C    3.5425554164  -0.2591633394   1.4320945518
C    1.6855005324  -0.2990729531  -0.1950353691
C    4.5321818331  -0.1593621345  -1.7507827191
C    3.3261838237   0.8560368381   2.4380966734
C   -0.8100847158  -1.3713751970   0.2430314193
C   -1.6824471650  -0.1421808705   0.2762712478
C   -2.9378820619  -0.1735112439  -0.3326344405
C   -1.3191514865   1.0419533205   0.9097767973
C   -3.8009080322   0.9099759667  -0.3081917354
C   -2.1698927433   2.1373402411   0.9466163852
C   -3.4140672911   2.0729404655   0.3399627684
H    3.1367665826   1.4467574428  -1.3882740389
H    4.4524552407   1.3779050770  -0.2449863713
H    3.1752005755  -1.2100588392   1.8208147423
H    4.6087126776  -0.4147130789   1.2637598494
H    5.1905497394   0.4244039377  -2.3944381891
H    5.1515072777  -0.8612227277  -1.1904267820
H    3.8595062834  -0.7324115701  -2.3891355874
H    3.7432210926   1.7970245346   2.0776850974
H    2.2658361760   1.0091556974   2.6415798172
H    3.8182983880   0.6116983576   3.3795222013
H   -1.3055413743  -2.1878196735   0.7746886781
H   -0.6596050200  -1.7216301518  -0.7779832132
H   -0.3556061964   1.1100820378   1.3981289448
H   -4.7676546442   0.8457211026  -0.7891832209
H   -1.8554589982   3.0400612897   1.4529891684
H   -4.0865109678   2.9198434861   0.3670828316

--Link1--
%oldchk=opt-b3lyp-pople.chk
#P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) geom=check guess=read output=wfx

Wavefunction orbencarb CONF52 water

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opt-b3lyp-pople.wfx

--Link1--
%oldchk=opt-b3lyp-pople.chk
#P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) geom=check guess=read td=(singlets,nstates=10)

Electronic spectrum orbencarb CONF52 water

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--Link1--
%oldchk=opt-b3lyp-pople.chk
#P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) geom=check guess=read

Single Point orbencarb CONF52 water

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